CID 57665

2-(p-methoxyphenyl)-2-methyl-1,3-dioxolane-4-methanol

Structural Information

Molecular Formula
C12H16O4
SMILES
CC1(OCC(O1)CO)C2=CC=C(C=C2)OC
InChI
InChI=1S/C12H16O4/c1-12(15-8-11(7-13)16-12)9-3-5-10(14-2)6-4-9/h3-6,11,13H,7-8H2,1-2H3
InChIKey
FDYCIYORWVHQEQ-UHFFFAOYSA-N
Compound name
[2-(4-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.10486 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.112136 147.0
[M+Na]+ 247.094078 154.8
[M-H]- 223.097584 154.1
[M+NH4]+ 242.138683 165.9
[M+K]+ 263.068018 155.3
[M+H-H2O]+ 207.102120 142.1
[M+HCOO]- 269.103061 167.5
[M+CH3COO]- 283.118711 184.2
[M+Na-2H]- 245.079526 153.1
[M]+ 224.10431142 149.7
[M]- 224.10540858 149.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.